N-Nitroso-N-ethylaniline

Base Information

• Chemical Name: N-Nitroso-N-ethylaniline
• CAS No.: 612-64-6
• Molecular Formula: C8H10 N2 O
• Molecular Weight: 150.18
• Hs Code.: 29214200
• European Community (EC) Number: 866-116-6
• NSC Number: 405070
• UN Number: 2810
• UNII: 2RW6X8LUQ5
• DSSTox Substance ID: DTXSID5025786
• Nikkaji Number: J33.837K
• Wikidata: Q81983930
• Mol file: 612-64-6.mol

Synonyms:N-Nitroso-N-ethylaniline;612-64-6;N-Ethyl-N-nitrosoaniline;Benzenamine, N-ethyl-N-nitroso-;Ethylnitrosoaniline;Nitrosoethylaniline;Aniline, N-ethyl-N-nitroso-;N-ethyl-N-phenylnitrous amide;Nitrosoethylphenylamine;N-Ethyl-N-nitrosobenzenamine;NSC 405070;N-Ethyl-N-nitrosoaniline";N-Nitroso-N-ethyl aniline;CCRIS 5880;NEA;BRN 1841635;Ethyl-N-nitrosoaniline, N-;2RW6X8LUQ5;AI3-15354;NSC-405070;N-Nitrosoethylphenylamine;N-Nitroso-N-ethylanilin;N-ethyl-N-nitroso-aniline;UNII-2RW6X8LUQ5;N-Ethyl-N-phenylnitrosamine;WLN: ONN2&R;SCHEMBL2776363;DTXSID5025786;1-Ethyl-2-oxo-1-phenylhydrazine #;NSC405070;AKOS006278432;LS-1465;AS-58353;FT-0672956;E89250;EN300-268091

Chemical Property of N-Nitroso-N-ethylaniline

Chemical Property:

• Appearance/Colour: yellow liquid
• Vapor Pressure: 0.00877mmHg at 25°C
• Refractive Index: 1.6180 (estimate)
• Boiling Point: 130 C
• PKA: -1.59±0.50(Predicted)
• Flash Point: 114.8°C
• PSA: 32.67000
• Density: 1.03g/cm³
• LogP: 2.19430
• Storage Temp.: Refrigerator
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 121
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

N-Nitroso-N-ethylaniline ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(C1=CC=CC=C1)N=O

Technology Process of N-Nitroso-N-ethylaniline

There total 14 articles about N-Nitroso-N-ethylaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

N-ethyl-N-phenylamine (103-69-5) → N-ethyl-N-nitrosoaniline (612-64-6)

Guidance literature:

With sodium azide; In water; acetonitrile; at 20 ℃;

DOI:10.1039/c4cc07440h

Reference yield: 91.0%

N,N-diethylaniline (91-66-7) → N-ethyl-N-nitrosoaniline (612-64-6)

Guidance literature:

With nitromethane; tetrabutyl ammonium fluoride; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In tetrahydrofuran; at 70 ℃; for 3h; regioselective reaction;

DOI:10.1021/jo202276x

Reference yield: 72.4%

N-methyl-N-ethylaniline (613-97-8) → N-nitroso N-ethyl-N-(4-nitroaniline) (945-81-3) + N-methyl-N-nitrosoaniline (614-00-6) + N-ethyl-N-nitrosoaniline (612-64-6) + N-methyl-N-nitroso-4-nitroaniline (943-41-9)

Guidance literature:

With n-Butyl nitrite; ammonium chloride; water; for 0.333333h; Heating;

DOI:10.1016/S0040-4020(01)81940-2

upstream raw materials:

N-ethyl-N-phenylamine

tetranitromethane

N,N-diethylaniline

N-methyl-N-ethylaniline

Downstream raw materials:

N-ethyl-4-aminoazobenzene

N-nitroso N-ethyl-N-(4-nitroaniline)

1-ethyl-1-phenylhydrazine

4-nitroso-N-ethylaniline

Refernces

• 1、 Cui, Xin-F,Huang, Guo-Sh. "Rhodium-catalyzed tandem acylmethylation/annulation ofN-nitrosoanilines with sulfoxonium ylides for the synthesis of substituted indazoleN-oxides". supporting information. p. 4014 - 4018. Retrieved 2020/06/09.
• 2、 Shang, Yaping,Jonnada, Krishna,Yedage, Subhash Laxman,Tu, Hua,Zhang, Xiaofeng,Lou, Xin,Huang, Shijun,Su, Weiping. "Rhodium(iii)-catalyzed indole synthesis at room temperature using the transient oxidizing directing group strategy". supporting information. p. 9547 - 9550. Retrieved 2019/08/15.